Vitas-M small molecule compound
(2E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-[1-(2-nitrobenzyl)-1H-pyrrol-2-yl]prop-2-enenitrile
Catalog ID
STK287204
SMILES N#C/C(=C\c1cccn1Cc1ccccc1[N+](=O)[O-])/c1[nH]c2c(n1)cc(c(c2)C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H19N5O2 MW 397.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N5O2/c1-15-10-20-21(11-16(15)2)26-23(25-20)18(13-24)12-19-7-5-9-27(19)14-17-6-3-4-8-22(17)28(29)30/h3-12H,14H2,1-2H3,(H,25,26)/b18-12+InChIKey
VNYORROJWXPREO-LDADJPATSA-NSynonyms
(2E)2(56dimethyl1Hbenzimidazol2yl)3(1(2nitrobenzyl)1Hpyrrol2yl)prop2enenitrile
(E)2(56DIMETHYL1HBENZIMIDAZOL2YL)3(1((2NITROPHENYL)METHYL)PYRROL2YL)PROP2ENENITRILE
CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC=CN3CC4=CC=CC=C4(N+)(=O)(O))C#N
InChI=1SC23H19N5O2c115102021(1116(15)2)2623(2520)18(1324)121975927(19)1417634822(17)28(29)30h312H14H212H3(H2526)b1812+
MFCD06760630
N#CC(=Cc1cccn1Cc1ccccc1(N+)(=O)(O))c1(nH)c2c(n1)cc(c(c2)C)C
ZINC000004810802
ZINC04810802
ZINC4810802
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